5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide

C14H22N4O2 — CID 106237568

IUPAC5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
SMILESNC(=O)CCCCNC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H22N4O2/c15-13(18-20)10-12(11-6-2-1-3-7-11)17-9-5-4-8-14(16)19/h1-3,6-7,12,17,20H,4-5,8-10H2,(H2,15,18)(H2,16,19)
InChIKeyNKEYEUAOBQOXEE-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.11
Rot. Bonds9

About 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide

5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide (PubChem CID 106237568) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
PubChem CID106237568
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
SMILESNC(=O)CCCCNC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H22N4O2/c15-13(18-20)10-12(11-6-2-1-3-7-11)17-9-5-4-8-14(16)19/h1-3,6-7,12,17,20H,4-5,8-10H2,(H2,15,18)(H2,16,19)
InChIKeyNKEYEUAOBQOXEE-UHFFFAOYSA-N
XLogP1.11
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
5-(1-phenylpropylamino)pentanamide
CID 103529788
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
CID 115356452
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-phenyl-3-(propylamino)propanamide
CID 65235689
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
3-[(2-cyano-1-phenylethyl)amino]propanamide
CID 62779874

Frequently Asked Questions

What is the IUPAC name of 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide?
The IUPAC name of 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide (CID 106237568) is 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide.
What is the SMILES notation for 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide?
The canonical SMILES for 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide is NC(=O)CCCCNC(C/C(N)=N/O)c1ccccc1.
What is the InChIKey of 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide?
The InChIKey is NKEYEUAOBQOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-13(18-20)10-12(11-6-2-1-3-7-11)17-9-5-4-8-14(16)19/h1-3,6-7,12,17,20H,4-5,8-10H2,(H2,15,18)(H2,16,19).
What are the key properties of 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide?
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide has a molecular weight of 278.36 g/mol, XLogP of 1.11, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide is sourced from PubChem (CID 106237568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).